AIMC Topic: HIV Integrase Inhibitors

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Classification and Design of HIV-1 Integrase Inhibitors Based on Machine Learning.

Computational and mathematical methods in medicine Apr 1, 2021
A key enzyme in human immunodeficiency virus type 1 (HIV-1) life cycle, integrase (IN) aids the integration of viral DNA into the host DNA, which has become an ideal target for the development of anti-HIV drugs. A total of 1785 potential HIV-1 IN inh...
HIV Infections Computational Biology Machine Learning Drug Design Molecular Structure Bayes Theorem HIV-1 Decision Trees Structure-Activity Relationship Humans HIV Integrase HIV Integrase Inhibitors Databases, Pharmaceutical
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Study of Structure-active Relationship for Inhibitors of HIV-1 Integrase LEDGF/p75 Interaction by Machine Learning Methods.

Molecular informatics Feb 28, 2017
HIV-1 integrase (IN) is a promising target for anti-AIDS therapy, and LEDGF/p75 is proved to enhance the HIV-1 integrase strand transfer activity in vitro. Blocking the interaction between IN and LEDGF/p75 is an effective way to inhibit HIV replicati...
Intercellular Signaling Peptides and Proteins HIV Integrase Inhibitors HIV Integrase Molecular Conformation Models, Molecular Molecular Structure Protein Binding Structure-Activity Relationship Humans Machine Learning Reproducibility of Results ROC Curve Computer Simulation
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Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes.

Journal of chemical information and modeling Oct 9, 2015
In a search for new anti-HIV-1 chemotypes, we developed a multistep ligand-based virtual screening (VS) protocol combining machine learning (ML) methods with the privileged structures (PS) concept. In its learning step, the VS protocol was based on H...
Anti-HIV Agents Machine Learning Inhibitory Concentration 50 Cells, Cultured HIV Integrase Inhibitors Humans HIV-1 Drug Evaluation, Preclinical Models, Molecular Ligands Molecular Structure Biological Assay
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Associations between weight gain, integrase inhibitors antiretroviral agents, and gut microbiome in people living with HIV: a cross-sectional study.

Scientific reports Jul 2, 2025
Dolutegravir and bictegravir are second-generation HIV integrase strand transfer inhibitors (INSTIs) that were previously associated with abnormal weight gain. This monocentric cross-sectional study investigates associations between weight gain durin...
Pyridones Amides Oxazines HIV Infections Gastrointestinal Microbiome Weight Gain HIV Integrase Inhibitors Heterocyclic Compounds, 4 or More Rings Heterocyclic Compounds, 3-Ring Female Humans Male Piperazines Adult Cross-Sectional Studies Middle Aged
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Durability of dolutegravir plus boosted darunavir as salvage or simplification of salvage regimens in HIV-1 infected, highly treatment-experienced subjects.

HIV clinical trials Dec 1, 2018
BACKGROUND: Dolutegravir (DTG) plus boosted darunavir (bDRV) is a compact, adherence-friendly salvage regimen with the highest genetic barrier to HIV-1 resistance.
Salvage Therapy Heterocyclic Compounds, 3-Ring Piperazines Pyridones Adult Reproducibility of Results Oxazines HIV Infections Middle Aged Male Aged Humans Cohort Studies Darunavir Italy HIV Protease Inhibitors Female HIV-1 HIV Integrase Inhibitors
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